4,5-Diaminocyclohexa-3,5-diene-1,2-dione

Base Information

• Chemical Name: 4,5-Diaminocyclohexa-3,5-diene-1,2-dione
• CAS No.: 623900-90-3
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• DSSTox Substance ID: DTXSID60580510
• Nikkaji Number: J2.426.469F
• Wikidata: Q82471359

Synonyms:4,5-Diaminocyclohexa-3,5-diene-1,2-dione;623900-90-3;4,5-diamino-o-benzoquinone;SCHEMBL21819582;DTXSID60580510;AKOS006340007

Chemical Property of 4,5-Diaminocyclohexa-3,5-diene-1,2-dione

Chemical Property:

• Melting Point: >300 °C
• Boiling Point: 174.7±40.0 °C(Predicted)
• PSA: 86.18000
• Density: 1.421±0.06 g/cm3(Predicted)
• LogP: 0.22400
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 138.042927438
• Heavy Atom Count: 10
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=O)C1=O)N)N

Technology Process of 4,5-Diaminocyclohexa-3,5-diene-1,2-dione

There total 6 articles about 4,5-Diaminocyclohexa-3,5-diene-1,2-dione which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 4,5-diaminocyclohexa-3,5-diene-1,2-dione (623900-90-3)

Guidance literature:

With potassium hexacyanoferrate (III); sodium azide; In aq. acetate buffer; at 20 - 40 ℃; for 1h;

DOI:10.13005/ojc/320635

Reference yield: 73.0%

3,4-Dihydroxybenzoic acid (99-50-3) → 4,5-diaminocyclohexa-3,5-diene-1,2-dione (623900-90-3)

Guidance literature:

With sodium azide; at 25 ℃; pH=6.0; Mechanism; aq. phosphate buffer; Electrolysis;

DOI:10.1016/j.tet.2009.04.015

Reference yield:

4,5-diamino-pyrocatechol (159661-41-3) → 4,5-diaminocyclohexa-3,5-diene-1,2-dione (623900-90-3)

Guidance literature:

With air; ammonia;

upstream raw materials:

4,5-diamino-pyrocatechol

hydrogenchloride

benzene-1,2-diol

acetic acid-(4,5-dihydroxy-2-nitroso-anilide)

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